| SpectraBase Compound ID | EUDtwiJmWGK |
|---|---|
| InChI | InChI=1S/C27H42O3/c1-7-24(3)12-8-13-25(4)18(24)11-14-26(5)19-10-9-17-16(2)30-23(29)22(17)27(19,6)21(28)15-20(25)26/h16,18-21,28H,7-15H2,1-6H3/t16-,18-,19-,20+,21+,24-,25-,26-,27+/m0/s1 |
| InChIKey | ZJHCKXNQASXDJG-NHAOYJMZSA-N |
| Mol Weight | 414.6 g/mol |
| Molecular Formula | C27H42O3 |
| Exact Mass | 414.313395 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3AN630NOue |
|---|---|
| Name | Phyllofolactone F |
| Appearance | Amorphous solid |
| Carrier Gas | Helium |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H42O3 |
| InChI | InChI=1S/C27H42O3/c1-7-24(3)12-8-13-25(4)18(24)11-14-26(5)19-10-9-17-16(2)30-23(29)22(17)27(19,6)21(28)15-20(25)26/h16,18-21,28H,7-15H2,1-6H3/t16-,18-,19-,20+,21+,24-,25-,26-,27+/m0/s1 |
| InChIKey | ZJHCKXNQASXDJG-NHAOYJMZSA-N |
| Instrument Name | Hewlett-Packard HP6890 GS |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np040073m |
| Molecular Weight | 414.630 g/mol |
| Optical Rotation | [a]D25 = 7.6 (c = 0.47, CHCl3) |
| SMILES | O[C@]1([C@]2([C@@]([C@@]3(CC[C@]4([H])[C@@]([C@]3(C1)[H])(CCC[C@@]4(CC)C)C)C)([H])CCC1=C2C(O[C@]1(C)[H])=O)C)[H] |
| SPLASH | splash10-00kb-0639100000-7921eacbfa2ed15d5261 |
| Source of Spectrum | G4-67-SM2-4 |
| Wiley ID | 1881899 |